normal Is it right that insane.py generates growth file with 3 coordinates only?

  • Ana91
  • Ana91's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
2 years 2 months ago #7146 by Ana91
I have made a .gro file with insane.py and I am trying to understand, why are there only three coordinates instead of 6. Because of that issue, I can't really run gromacs solvate.

Please Log in or Create an account to join the conversation.

More
2 years 2 months ago #7149 by bart
The gro file that is generated only contains positions. You do not need initial velocities for they will be adjusted by the thermostat (or the random velocity flag in you mdp file. Therefore I think your problem is something unrelated.

Please Log in or Create an account to join the conversation.

Time to create page: 0.078 seconds